4-[3-(7-methoxy-4-methyl-2-oxidanylidene-quinolin-1-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(7-methoxy-4-methyl-2-oxidanylidene-quinolin-1-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(7-methoxy-4-methyl-2-oxo-1-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(7-methoxy-4-methyl-2-oxo-1-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(2-keto-7-methoxy-4-methyl-1-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]isonipecotic acid Formula: C26H32N2O4S2 MolecularWeight: 500.67328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O

InChI

InChI=1S/C26H32N2O4S2/c1-19-17-23(29)28(22-18-20(32-2)6-7-21(19)22)11-4-8-26(25(30)31)9-12-27(13-10-26)14-16-34-24-5-3-15-33-24/h3,5-7,15,17-18H,4,8-14,16H2,1-2H3,(H,30,31)